5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide

C17H17N3O3S2 — CID 53068205

IUPAC5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide
SMILESCc1cccc(CNS(=O)(=O)c2ccc(-c3nnc(C4CC4)o3)s2)c1
InChIInChI=1S/C17H17N3O3S2/c1-11-3-2-4-12(9-11)10-18-25(21,22)15-8-7-14(24-15)17-20-19-16(23-17)13-5-6-13/h2-4,7-9,13,18H,5-6,10H2,1H3
InChIKeyVWSSFVAQEJBDDK-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.46
Rot. Bonds6

About 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide

5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide (PubChem CID 53068205) has the molecular formula C17H17N3O3S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide
PubChem CID53068205
Molecular FormulaC17H17N3O3S2
Molecular Weight375.48 g/mol
Exact Mass375.07
IUPAC Name5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide
SMILESCc1cccc(CNS(=O)(=O)c2ccc(-c3nnc(C4CC4)o3)s2)c1
InChIInChI=1S/C17H17N3O3S2/c1-11-3-2-4-12(9-11)10-18-25(21,22)15-8-7-14(24-15)17-20-19-16(23-17)13-5-6-13/h2-4,7-9,13,18H,5-6,10H2,1H3
InChIKeyVWSSFVAQEJBDDK-UHFFFAOYSA-N
XLogP3.46
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 53068255
5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide
CID 53102955
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 53068164
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide
CID 53068113
N-(2-chloro-4-methylphenyl)-5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
CID 53068247
N-[(3-methylphenyl)methyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 20936017
N-benzyl-5-(2-cyclopentyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide
CID 53103169
5-(2-aminoethyl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide
CID 60903374
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2-sulfonamide
CID 95068298
2-cyclopentyl-5-[5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1,3,4-oxadiazole
CID 53068295
5-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-[(4-methylphenyl)methyl]furan-2-sulfonamide
CID 53175709
N-(3-chloro-4-fluorophenyl)-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
CID 53068175

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide (CID 53068205) is 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide is Cc1cccc(CNS(=O)(=O)c2ccc(-c3nnc(C4CC4)o3)s2)c1.
What is the InChIKey of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is VWSSFVAQEJBDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S2/c1-11-3-2-4-12(9-11)10-18-25(21,22)15-8-7-14(24-15)17-20-19-16(23-17)13-5-6-13/h2-4,7-9,13,18H,5-6,10H2,1H3.
What are the key properties of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide?
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 375.48 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 53068205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).